1,1'-[propane-1,2-diylbis(oxy)]dipropan-1-ol
fo-43e84075bc422adc
Identity
- Type
- NeutralMolecule
- CAS
- 24800-44-0
- EC
- 246-466-0
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 53 across every transformer
Structure
![Structure diagram for 1,1'-[propane-1,2-diylbis(oxy)]dipropan-1-ol](/flow-objects/fo-43e84075bc422adc/structure.svg)
This substance carries 2 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.
Alternative labels
4- [(1-Methyl-1,2-ethanediyl)bis(oxy)]bispropanol
- Propanol, [(1-methyl-1,2-ethanediyl)bis(oxy)]bis-
- TPG-H
- Tripropylene glycol
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | LCZVSXRMYJUNFX-UHFFFAOYSA-N, XRKXPUGWOSTWHB-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C9H20O4/c1-7(11)5-12-9(3)6-13-8(2)4-10/h7-11H,4-6H2,1-3H3, InChI=1S/C9H20O4/c1-9(13-7-3-5-11)8-12-6-2-4-10/h9-11H,2-8H2,1H3 |
| IUPAC name chemrof:IUPAC_name | 2-[2-(2-hydroxypropoxy)propoxy]-1-propanol, 2-[2-(2-hydroxypropoxy)propoxy]propan-1-ol, 2-[2-(2-oxidanylpropoxy)propoxy]propan-1-ol, 3-[2-(3-hydroxypropoxy)propoxy]-1-propanol, 3-[2-(3-hydroxypropoxy)propoxy]propan-1-ol, 3-[2-(3-oxidanylpropoxy)propoxy]propan-1-ol |
| Molecular formula chemrof:molecular_formula | C9H20O4 |
| SMILES string chemrof:smiles_string | CC(CO)OCC(C)OCC(C)O, CC(COCCCO)OCCCO |
Known URLs
7Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.
| Resource | URL | Recorded by |
|---|---|---|
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=24800-44-0 | enrich_references.consensus_cas_link |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID90871342 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/5U049772F7 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J47.851B | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/172561 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/32611 | enrich_references.pubchem_compound |
| wikidata.org | https://www.wikidata.org/wiki/Q27262866 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 2dc4aeed-84ed-413a-b2e2-1a4f91f1178f | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| c76422cb-453d-44fc-a0aa-77b0f6f7d2b8 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| 68801609-402d-4701-8d36-255cc9339145 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 6307d1e1-bd03-409f-ad83-0d90af71780e | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 66895c3f-7799-450e-9082-44cd6eb2cdc9 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 852ee207-3597-4873-8316-fcb61bde36db | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 2d893290-fb59-4582-aedc-cd9918db9a66 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 7bc42ff7-e4fe-43fe-94fe-2e56df1b4f92 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 9bff2000-6c7e-49a3-8122-d5b138fcba3b | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| def64599-fcf5-49fa-ab2e-4ac2f682af5a | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 8e1e13f9-4811-4708-ac6a-6d836d1714a7 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| bedca1af-dd14-480b-a53f-d55167f0421f | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| c697e633-fb73-4db0-a1f2-0642ea831ae7 | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (53 changes)
Full record
Flow object JSON
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